methyl 4-[[3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-1-yl]methyl]benzoate CAS Name: 4-[[3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazino]methyl]benzoic acid methyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCN(CC2CCO)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCN(CC2CCO)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H29N3O3/c1-17-4-3-5-20(23-17)15-25-12-11-24(16-21(25)10-13-26)14-18-6-8-19(9-7-18)22(27)28-2/h3-9,21,26H,10-16H2,1-2H3